Basic information
- CAS
69099-62-3- Standard SMILES
COC(=O)c1noc2c1CSc1ccccc1-2- InChIKey
JJCCOUNMGNWGQQ-UHFFFAOYSA-N- Molecular formula
- C12H9NO3S
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.03031432
Names & identifiers
- Preferred name
- Methyl 4H-thiochromeno(3,4-d)isoxazole-3-carboxylate
- IUPAC
- methyl 4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxylate
Names & synonyms
69099-62-38QBO81AR8FMethyl 4H-thiochromeno(3,4-d)isoxazole-3-carboxylateUNII-8QBO81AR8FNSC 320967NSC-320967DTXSID20219152Methyl 4H-thiochromeno[3,4-d]isoxazole-3-carboxylate4H-(1)BENZOTHIOPYRANO(3,4-D)ISOXAZOLE-3-CARBOXYLIC ACID, METHYL ESTERRefChem:157653DTXCID40141643NSC320967
Show more names
Methyl 4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxylate
Database identifiers
- CAS
69099-62-3- PubChem CID
- 330985
- DTXSID
DTXSID20219152- UNII
- 8QBO81AR8F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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